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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03380245

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FSCFUSICOCCINA1O9E0.72
FSCFUSICOCCINA,P1O9F0.72
FSCFUSICOCCINA,B2O980.72
CW1Cotylenin AA,B,C,D3E6Y0.71
ENE(4Z)-2,8:7,12:11,15:14,18:17,22-
PENTAANHYDRO-4,5,6,9,10,13,19,20,21-
NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-
DOCOSA-4,9,20-TRIENITOL
A2Z920.71
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE80.74
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.71
JB1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2R,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol
A2ZXM0.7
AURAUROVERTIN BA,B,C,D,E,F1COW0.72
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.76
NEXA,B,C,D,E,F,
G,H,I,J
1RWT0.77
NEXA,B,C2BHW0.77
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)
A2HCD0.7
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.8
COV(1S,3R,5Z,7E,14beta,17alpha)-17-
[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-
2-methyltetrahydrofuran-2-yl]-9,10-
secoandrosta-5,7,10-triene-1,3-
diol
A3CS40.74
XATA,B,C,D,E,F,
G,H,I,J
1RWT0.72
XATA,B,C2BHW0.72
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.76
END1,6:5,9:8,12:11,16-TETRAANHYDRO-
2,3,4,10,13,14-HEXADEOXY-D-GLYCERO-
D-ALLO-D-GULO-HEPTADECA-2,13-DIENITOL
C2Z930.73
HCR7-HYDROXYCHOLESTEROLA1ZHT0.7
JC1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2S,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol
A2ZXN0.7
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.85
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.85
0CO(1S,3R,5Z,7E,14beta,17alpha,23R)-
23-(2-hydroxy-2-methylpropyl)-20,24-
epoxy-9,10-secochola-5,7,10-triene-
1,3-diol
A3CS60.74